(1R,3S,4R)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
[CAS# 66944-58-9]

Identification

• Name: (1R,3S,4R)-1,7,7-Trimethyl-3-nitrobicyclo[2.2.1]heptan-2-one
• Synonyms: [1-[(3,4-Dihydroxyphenyl)Methyl]-7-Hydroxy-6-Isoquinolyl] Hydrogen Sulfate; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; [1-(3,4-Dihydroxybenzyl)-7-Hydroxy-6-Isoquinolyl] Hydrogen Sulfate; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; [1-[(3,4-Dihydroxyphenyl)Methyl]-7-Hydroxy-Isoquinolin-6-Yl] Hydrogen Sulfate; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₂₃H₃₀N₂O₁₂S
• Molecular Weight: 558.56
• CAS Registry Number: 66944-58-9
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C1=C(O)C(=CC2=CC=NC(=C12)CC3=CC=C(O)C(=C3)O)O[S](=O)(=O)O
• InChI: 1S/C16H13NO7S.C7H17NO5/c18-13-2-1-9(6-14(13)19)5-12-11-8-15(20)16(24-25(21,22)23)7-10(11)3-4-17-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-4,6-8,18-20H,5H2,(H,21,22,23);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: JRQLBJPVSRTDBJ-WZTVWXICSA-N